HGS

D-gamma-glutamyl-L-cysteinyl-beta-alanine

Created:	2009-11-17
Last modified:	2011-06-04

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1 entries where HGS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	2
Bond Count	39
Aromatic Bond Count	0

2D diagram of HGS

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Chemical Component Summary
Name	D-gamma-glutamyl-L-cysteinyl-beta-alanine
Systematic Name (OpenEye OEToolkits)	(2R)-2-azanyl-5-[[(2R)-1-(2-carboxyethylamino)-1-oxo-3-sulfanyl-propan-2-yl]amino]-5-oxo-pentanoic acid
Formula	C₁₁ H₁₉ N₃ O₆ S
Molecular Weight	321.35
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	N[CH](CCC(=O)N[CH](CS)C(=O)NCCC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	C(CC(=O)NC(CS)C(=O)NCCC(=O)O)C(C(=O)O)N
Canonical SMILES	CACTVS	3.352	N[C@H](CCC(=O)N[C@@H](CS)C(=O)NCCC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C(CC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)[C@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7+/m1/s1
InChIKey	InChI	1.03	HKBNQXMLSMKLJV-RQJHMYQMSA-N

Related Resource References

Resource Name	Reference
PubChem	44517647

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